N-[6-[2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide

C18H13F5N6O2 — CID 123238640

IUPACN-[6-[2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(F)c(C3(CF)CC(C(F)(F)F)OC(N)=N3)n2)nc1
InChIInChI=1S/C18H13F5N6O2/c19-8-17(5-12(18(21,22)23)31-16(25)29-17)14-10(20)2-4-13(27-14)28-15(30)11-3-1-9(6-24)7-26-11/h1-4,7,12H,5,8H2,(H2,25,29)(H,27,28,30)
InChIKeyVQLHHKZUDDHBMN-UHFFFAOYSA-N
MW440.33 g/mol
LogP2.57
Rot. Bonds4

About N-[6-[2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide

N-[6-[2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide (PubChem CID 123238640) has the molecular formula C18H13F5N6O2 and a molecular weight of 440.33 g/mol. Its IUPAC name is N-[6-[2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide
PubChem CID123238640
Molecular FormulaC18H13F5N6O2
Molecular Weight440.33 g/mol
Exact Mass440.10
IUPAC NameN-[6-[2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(F)c(C3(CF)CC(C(F)(F)F)OC(N)=N3)n2)nc1
InChIInChI=1S/C18H13F5N6O2/c19-8-17(5-12(18(21,22)23)31-16(25)29-17)14-10(20)2-4-13(27-14)28-15(30)11-3-1-9(6-24)7-26-11/h1-4,7,12H,5,8H2,(H2,25,29)(H,27,28,30)
InChIKeyVQLHHKZUDDHBMN-UHFFFAOYSA-N
XLogP2.57
TPSA126.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoro-5-methylphenyl]-5-cyanopyridine-2-carboxamide
CID 123752170
N-[6-[(4R,6R)-2-amino-4,6-dimethyl-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide
CID 126755346
N-[6-[(4R,5R,6R)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide
CID 86295797
N-[6-[2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide
CID 123728009
N-[6-[(4S,6S)-2-amino-6-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide
CID 90375310
N-[6-[3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.2.0]oct-3-en-5-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide
CID 123709425
N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 86296222
N-[6-[(1R,10S)-8-amino-10-(fluoromethyl)-1-oxo-1λ6-thia-2,7,9-triazabicyclo[5.4.0]undeca-1,8-dien-10-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide
CID 135205776
N-[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyrazine-2-carboxamide
CID 118877195
(4S,6S)-4-(6-bromo-3-fluoro-2-pyridinyl)-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
CID 86732169
N-[3-[(4S,6S)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(trifluoromethoxy)pyridine-2-carboxamide
CID 71668198
N-[3-[(4S)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 147728536

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-[6-[2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide (CID 123238640) is N-[6-[2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-[6-[2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-[6-[2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide is N#Cc1ccc(C(=O)Nc2ccc(F)c(C3(CF)CC(C(F)(F)F)OC(N)=N3)n2)nc1.
What is the InChIKey of N-[6-[2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide?
The InChIKey is VQLHHKZUDDHBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F5N6O2/c19-8-17(5-12(18(21,22)23)31-16(25)29-17)14-10(20)2-4-13(27-14)28-15(30)11-3-1-9(6-24)7-26-11/h1-4,7,12H,5,8H2,(H2,25,29)(H,27,28,30).
What are the key properties of N-[6-[2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide?
N-[6-[2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide has a molecular weight of 440.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 123238640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).